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Compile Data Set for Download or QSAR

Found 726 hits of ic50 data for polymerid = 1068,50001377   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380208
PNG
(CHEMBL2011408)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(OS(N)(=O)=O)c4[N+]([O-])=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22N2O6S/c1-18-9-8-11-10-4-6-15(26-27(19,24)25)17(20(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,19,24,25)/t11-,12-,14+,18+/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50168219
PNG
(CHEMBL3805209)
Show SMILES COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)Cc4ccccc4)[C@@H]3CCc2cc1OS(N)(=O)=O
Show InChI InChI=1/C26H33NO5S/c1-25-12-10-19-20(22(25)11-13-26(25,28)16-17-6-4-3-5-7-17)9-8-18-14-24(32-33(27,29)30)23(31-2)15-21(18)19/h3-7,14-15,19-20,22,28H,8-13,16H2,1-2H3,(H2,27,29,30)/t19-,20+,22-,25-,26+/s2
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n/an/a 0.0240n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase (unknown origin) transfected in HEK293 cells using E1S as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50168217
PNG
(CHEMBL3806018)
Show SMILES COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)Cc4ccc(cc4)C(C)(C)C)[C@@H]3CCc2cc1OS(N)(=O)=O
Show InChI InChI=1/C30H41NO5S/c1-28(2,3)21-9-6-19(7-10-21)18-30(32)15-13-25-23-11-8-20-16-27(36-37(31,33)34)26(35-5)17-24(20)22(23)12-14-29(25,30)4/h6-7,9-10,16-17,22-23,25,32H,8,11-15,18H2,1-5H3,(H2,31,33,34)/t22-,23+,25-,29-,30+/s2
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n/an/a 0.0400n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase (unknown origin) transfected in HEK293 cells using E1S as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (human))
BDBM50168219
PNG
(CHEMBL3805209)
Show SMILES COc1cc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)Cc4ccccc4)[C@@H]3CCc2cc1OS(N)(=O)=O
Show InChI InChI=1/C26H33NO5S/c1-25-12-10-19-20(22(25)11-13-26(25,28)16-17-6-4-3-5-7-17)9-8-18-14-24(32-33(27,29)30)23(31-2)15-21(18)19/h3-7,14-15,19-20,22,28H,8-13,16H2,1-2H3,(H2,27,29,30)/t19-,20+,22-,25-,26+/s2
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n/an/a 0.0500n/an/an/an/an/an/a



CHU de Qu£bec - Research Center (CHUL, T4)

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase (unknown origin) expressed in HEK293 cells assessed as reduction in transformation of [3H]-E1S to E1 after 2 hrs by l...


Eur J Med Chem 119: 169-82 (2016)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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n/an/a 0.0650n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory activity against estrone sulfatase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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n/an/a 0.0650n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against Estrone Sulfatase


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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n/an/a 0.0650n/an/an/an/an/an/a



Kingston University

Curated by ChEMBL


Assay Description
Inhibitory concentration required to inhibit the enzyme estrone sulfatase was determined


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380223
PNG
(CHEMBL2011422)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H23F2NO4S/c1-19-7-6-11-12(15(19)4-5-17(19)23)3-2-10-8-16(26-27(22,24)25)14(18(20)21)9-13(10)11/h8-9,11-12,15,18H,2-7H2,1H3,(H2,22,24,25)/t11-,12+,15-,19-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380223
PNG
(CHEMBL2011422)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C(F)F)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H23F2NO4S/c1-19-7-6-11-12(15(19)4-5-17(19)23)3-2-10-8-16(26-27(22,24)25)14(18(20)21)9-13(10)11/h8-9,11-12,15,18H,2-7H2,1H3,(H2,22,24,25)/t11-,12+,15-,19-/m0/s1
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n/an/a 0.100n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of placental microsomal estrone sulfatase (unknown origin) using [6,7-3H]E1S as substrate incubated for 1 hr by scintillation spectrometri...


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380216
PNG
(CHEMBL364332)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Br)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22BrNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
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n/an/a 0.110n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50337122
PNG
(2-bromo-4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triazo...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1Br
Show InChI InChI=1S/C22H17BrN6O3S/c23-21-10-16(6-9-22(21)32-33(25,30)31)13-29(28-14-26-27-15-28)19-8-7-18(12-24)20(11-19)17-4-2-1-3-5-17/h1-11,14-15H,13H2,(H2,25,30,31)
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n/an/a 0.130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 hr by scintillation spectrometry


ACS Med Chem Lett 2: 243-247 (2011)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50136297
PNG
(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)
Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-
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n/an/a 0.150n/an/an/an/an/an/a



Novartis Forschungsinstitut

Curated by ChEMBL


Assay Description
Inhibitory activity against human steroid sulfatase in sebocytes


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50369432
PNG
(CHEMBL1627465)
Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]23C)cc1
Show InChI InChI=1S/C29H39NO4S/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(34-35(30,32)33)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,31H,7,11,13-16,18H2,1-4H3,(H2,30,32,33)/t24-,25-,26+,28+,29-/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental estrone sulfatase expressed in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation coun...


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50369432
PNG
(CHEMBL1627465)
Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]23C)cc1
Show InChI InChI=1S/C29H39NO4S/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(34-35(30,32)33)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,31H,7,11,13-16,18H2,1-4H3,(H2,30,32,33)/t24-,25-,26+,28+,29-/m1/s1
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n/an/a 0.150n/an/an/an/an/an/a



Laval University Medical Research Center

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit human embryonal kidney cell derived steroid sulfatase activity in transforming [3H]E1S (estrone sulfat...


J Med Chem 42: 2280-6 (1999)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50136297
PNG
(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)
Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-
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n/an/a 0.150n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase in human sebocytes using DHEAS as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50118560
PNG
(CHEMBL262050 | Sulfamic acid 2-adamantan-1-yl-4-ox...)
Show SMILES NS(=O)(=O)Oc1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H21NO4S2/c20-26(22,23)24-14-1-2-17-15(6-14)16(21)7-18(25-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H2,20,22,23)
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n/an/a 0.340n/an/an/an/an/an/a



Novartis Research Institute Vienna

Curated by ChEMBL


Assay Description
Inhibitory activity against purified human steroid sulfatase (STS)


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50118560
PNG
(CHEMBL262050 | Sulfamic acid 2-adamantan-1-yl-4-ox...)
Show SMILES NS(=O)(=O)Oc1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H21NO4S2/c20-26(22,23)24-14-1-2-17-15(6-14)16(21)7-18(25-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H2,20,22,23)
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n/an/a 0.340n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human estrone sulfatase using 4-methylumbelliferyl sulfate as substrate by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50118560
PNG
(CHEMBL262050 | Sulfamic acid 2-adamantan-1-yl-4-ox...)
Show SMILES NS(=O)(=O)Oc1ccc2sc(cc(=O)c2c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C19H21NO4S2/c20-26(22,23)24-14-1-2-17-15(6-14)16(21)7-18(25-17)19-8-11-3-12(9-19)5-13(4-11)10-19/h1-2,6-7,11-13H,3-5,8-10H2,(H2,20,22,23)
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n/an/a 0.340n/an/an/an/an/an/a



Novartis Research Institute Vienna

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase


J Med Chem 46: 5091-4 (2003)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50369431
PNG
(CHEMBL1627878)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1
Show InChI InChI=1S/C25H31NO4S/c1-24-13-11-21-20-10-8-19(30-31(26,28)29)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,27H,7,9,11-14,16H2,1H3,(H2,26,28,29)/t21-,22-,23+,24+,25-/m1/s1
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n/an/a 0.390n/an/an/an/an/an/a



Laval University Medical Research Center

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit human embryonal kidney cell derived steroid sulfatase activity in transforming [3H]E1S (estrone sulfat...


J Med Chem 42: 2280-6 (1999)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50168259
PNG
(CHEMBL3806300)
Show SMILES CCCCCCC(O)(CCCCc1ccc(OS(N)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1/C28H43NO4S/c1-5-6-7-9-20-28(30,22-24-12-16-25(17-13-24)27(2,3)4)21-10-8-11-23-14-18-26(19-15-23)33-34(29,31)32/h12-19,30H,5-11,20-22H2,1-4H3,(H2,29,31,32)
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n/an/a 0.400n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental estrone sulfatase expressed in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation coun...


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380215
PNG
(CHEMBL2011415)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(Cl)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22ClNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380214
PNG
(CHEMBL2011414)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(F)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22FNO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
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n/an/a 0.620n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50136297
PNG
(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)
Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-
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n/an/a 0.75n/an/an/an/an/an/a



Novartis Forschungsinstitut

Curated by ChEMBL


Assay Description
Inhibitory activity against human steroid sulfatase in fibroblasts


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50136297
PNG
(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)
Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-
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n/an/a 0.75n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase human keratinocytes using DHEAS as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50136297
PNG
(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)
Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-
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n/an/a 0.770n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase in human MCF7 cells using estrone sulphate as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50136297
PNG
(CHEMBL136112 | Sulfamic acid 2-adamantan-2-ylidene...)
Show SMILES NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1
Show InChI InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)/b15-9-
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n/an/a 0.770n/an/an/an/an/an/a



Novartis Forschungsinstitut

Curated by ChEMBL


Assay Description
Inhibition of human STS in keratinocytes


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380208
PNG
(CHEMBL2011408)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4c3ccc(OS(N)(=O)=O)c4[N+]([O-])=O)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22N2O6S/c1-18-9-8-11-10-4-6-15(26-27(19,24)25)17(20(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14H,2-3,5,7-9H2,1H3,(H2,19,24,25)/t11-,12-,14+,18+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human placental microsomes using [3H]E1S as substrate after 30 mins by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380217
PNG
(CHEMBL364745)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(I)cc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22INO4S/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(24-25(20,22)23)15(19)9-13(10)11/h8-9,11-12,14H,2-7H2,1H3,(H2,20,22,23)/t11-,12+,14-,18-/m0/s1
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n/an/a 0.810n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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n/an/a 0.830n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50337121
PNG
(2-chloro-4-(((6-cyanobiphenyl-3-yl)(4H-1,2,4-triaz...)
Show SMILES NS(=O)(=O)Oc1ccc(CN(c2ccc(C#N)c(c2)-c2ccccc2)n2cnnc2)cc1Cl
Show InChI InChI=1S/C22H17ClN6O3S/c23-21-10-16(6-9-22(21)32-33(25,30)31)13-29(28-14-26-27-15-28)19-8-7-18(12-24)20(11-19)17-4-2-1-3-5-17/h1-11,14-15H,13H2,(H2,25,30,31)
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n/an/a 0.830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human JEG-3 cells using [6,7-3H]E1S after 1 hr by scintillation spectrometry


ACS Med Chem Lett 2: 243-247 (2011)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50134329
PNG
(CHEMBL122708 | Sulfamic acid (11R,12S,15S,16S)-13-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental estrone sulfatase expressed in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation coun...


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121065
PNG
(CHEMBL3622012)
Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCCCCc3c(=O)oc2c1
Show InChI InChI=1S/C17H21NO5S/c18-24(20,21)23-12-9-10-14-13-7-5-3-1-2-4-6-8-15(13)17(19)22-16(14)11-12/h9-11H,1-8H2,(H2,18,20,21)
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of placental microsomal estrone sulfatase (unknown origin) using [3H]-estrone sulphate as substrate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121065
PNG
(CHEMBL3622012)
Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCCCCc3c(=O)oc2c1
Show InChI InChI=1S/C17H21NO5S/c18-24(20,21)23-12-9-10-14-13-7-5-3-1-2-4-6-8-15(13)17(19)22-16(14)11-12/h9-11H,1-8H2,(H2,18,20,21)
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n/an/a 1n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of STS activity in human placental microsome


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50188235
PNG
(CHEMBL3827021)
Show SMILES NS(=O)(=O)Oc1ccc2C3CCCCCCCCCCC3C(=O)Oc2c1
Show InChI InChI=1/C19H27NO5S/c20-26(22,23)25-14-11-12-16-15-9-7-5-3-1-2-4-6-8-10-17(15)19(21)24-18(16)13-14/h11-13,15,17H,1-10H2,(H2,20,22,23)
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n/an/a 1n/an/an/an/an/an/a



Central University of Punjab

Curated by ChEMBL


Assay Description
Inhibition of placental sulphatase (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121113
PNG
(CHEMBL3622018)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)NC2=O
Show InChI InChI=1/C18H22N2O5S/c1-18-7-6-13-12-5-3-11(25-26(19,23)24)8-10(12)2-4-14(13)15(18)9-16(21)20-17(18)22/h3,5,8,13-15H,2,4,6-7,9H2,1H3,(H2,19,23,24)(H,20,21,22)/t13-,14-,15+,18+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121116
PNG
(CHEMBL3622021)
Show SMILES CCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O
Show InChI InChI=1/C21H28N2O5S/c1-3-10-23-19(24)12-18-17-6-4-13-11-14(28-29(22,26)27)5-7-15(13)16(17)8-9-21(18,2)20(23)25/h5,7,11,16-18H,3-4,6,8-10,12H2,1-2H3,(H2,22,26,27)/t16-,17-,18+,21+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121117
PNG
(CHEMBL3622022)
Show SMILES CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O
Show InChI InChI=1/C22H30N2O5S/c1-3-4-11-24-20(25)13-19-18-7-5-14-12-15(29-30(23,27)28)6-8-16(14)17(18)9-10-22(19,2)21(24)26/h6,8,12,17-19H,3-5,7,9-11,13H2,1-2H3,(H2,23,27,28)/t17-,18-,19+,22+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121118
PNG
(CHEMBL3621214)
Show SMILES CCCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O
Show InChI InChI=1/C23H32N2O5S/c1-3-4-5-12-25-21(26)14-20-19-8-6-15-13-16(30-31(24,28)29)7-9-17(15)18(19)10-11-23(20,2)22(25)27/h7,9,13,18-20H,3-6,8,10-12,14H2,1-2H3,(H2,24,28,29)/t18-,19-,20+,23+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121119
PNG
(CHEMBL3622023)
Show SMILES CCCCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O
Show InChI InChI=1/C24H34N2O5S/c1-3-4-5-6-13-26-22(27)15-21-20-9-7-16-14-17(31-32(25,29)30)8-10-18(16)19(20)11-12-24(21,2)23(26)28/h8,10,14,19-21H,3-7,9,11-13,15H2,1-2H3,(H2,25,29,30)/t19-,20-,21+,24+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121174
PNG
(CHEMBL3622024)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)N(CCCCBr)C2=O
Show InChI InChI=1/C22H29BrN2O5S/c1-22-9-8-17-16-7-5-15(30-31(24,28)29)12-14(16)4-6-18(17)19(22)13-20(26)25(21(22)27)11-3-2-10-23/h5,7,12,17-19H,2-4,6,8-11,13H2,1H3,(H2,24,28,29)/t17-,18-,19+,22+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121194
PNG
(CHEMBL3622027)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)N(Cc1ccccc1)C2=O
Show InChI InChI=1/C25H28N2O5S/c1-25-12-11-20-19-10-8-18(32-33(26,30)31)13-17(19)7-9-21(20)22(25)14-23(28)27(24(25)29)15-16-5-3-2-4-6-16/h2-6,8,10,13,20-22H,7,9,11-12,14-15H2,1H3,(H2,26,30,31)/t20-,21-,22+,25+/s2
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n/an/a 1n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121193
PNG
(CHEMBL3622026)
Show SMILES CC(C)(C)c1ccc(CN2C(=O)C[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1
Show InChI InChI=1/C29H36N2O5S/c1-28(2,3)20-8-5-18(6-9-20)17-31-26(32)16-25-24-11-7-19-15-21(36-37(30,34)35)10-12-22(19)23(24)13-14-29(25,4)27(31)33/h5-6,8-10,12,15,23-25H,7,11,13-14,16-17H2,1-4H3,(H2,30,34,35)/t23-,24-,25+,29+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121195
PNG
(CHEMBL3622028)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)N(CC=C)C2=O
Show InChI InChI=1/C21H26N2O5S/c1-3-10-23-19(24)12-18-17-6-4-13-11-14(28-29(22,26)27)5-7-15(13)16(17)8-9-21(18,2)20(23)25/h3,5,7,11,16-18H,1,4,6,8-10,12H2,2H3,(H2,22,26,27)/t16-,17-,18+,21+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121192
PNG
(CHEMBL1235380)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)N(Cc1cccnc1)C2=O
Show InChI InChI=1/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/s2
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Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal estrone sulfatase using [3H]E1S as substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121192
PNG
(CHEMBL1235380)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)N(Cc1cccnc1)C2=O
Show InChI InChI=1/C24H27N3O5S/c1-24-9-8-19-18-7-5-17(32-33(25,30)31)11-16(18)4-6-20(19)21(24)12-22(28)27(23(24)29)14-15-3-2-10-26-13-15/h2-3,5,7,10-11,13,19-21H,4,6,8-9,12,14H2,1H3,(H2,25,30,31)/t19-,20-,21+,24+/s2
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of STS activity in human placental microsome in presence of [3H]-estrone sulfate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50121116
PNG
(CHEMBL3622021)
Show SMILES CCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O
Show InChI InChI=1/C21H28N2O5S/c1-3-10-23-19(24)12-18-17-6-4-13-11-14(28-29(22,26)27)5-7-15(13)16(17)8-9-21(18,2)20(23)25/h5,7,11,16-18H,3-4,6,8-10,12H2,1-2H3,(H2,22,26,27)/t16-,17-,18+,21+/s2
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University of Bath

Curated by ChEMBL


Assay Description
Inhibition of STS activity in human placental microsome in presence of [3H]-estrone sulfate


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50380218
PNG
(CHEMBL2011416)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)c(cc34)C#N)[C@@H]1CCC2=O
Show InChI InChI=1S/C19H22N2O4S/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(25-26(21,23)24)12(10-20)8-15(11)13/h8-9,13-14,16H,2-7H2,1H3,(H2,21,23,24)/t13-,14+,16-,19-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human MCF7 cells using [3H]E1S as substrate after 20 hrs by scintillation spectrometry


Bioorg Med Chem 20: 2506-19 (2012)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50369431
PNG
(CHEMBL1627878)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC[C@@]2(O)Cc1ccccc1
Show InChI InChI=1S/C25H31NO4S/c1-24-13-11-21-20-10-8-19(30-31(26,28)29)15-18(20)7-9-22(21)23(24)12-14-25(24,27)16-17-5-3-2-4-6-17/h2-6,8,10,15,21-23,27H,7,9,11-14,16H2,1H3,(H2,26,28,29)/t21-,22-,23+,24+,25-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of estrone sulfatase (unknown origin) transfected in HEK293 cells using [3H]E1S as substrate incubated for 2 hrs by liquid scintillation c...


Citation and Details
More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM50369432
PNG
(CHEMBL1627465)
Show SMILES CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@]23C)cc1
Show InChI InChI=1S/C29H39NO4S/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(34-35(30,32)33)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,31H,7,11,13-16,18H2,1-4H3,(H2,30,32,33)/t24-,25-,26+,28+,29-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Laval University Medical Research Center

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the transformation of [C14]-DHEAS to DHEA by steroid sulfatase derived from human embryonal kidney cel...


J Med Chem 42: 2280-6 (1999)

More data for this
Ligand-Target Pair
Steroid Sulfatase (STS)


(Homo sapiens (human))
BDBM13058
PNG
(6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-...)
Show SMILES NS(=O)(=O)Oc1ccc2c3CCCCCc3c(=O)oc2c1
Show InChI InChI=1S/C14H15NO5S/c15-21(17,18)20-9-6-7-11-10-4-2-1-3-5-12(10)14(16)19-13(11)8-9/h6-8H,1-5H2,(H2,15,17,18)
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n/an/a 1.5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of steroid sulfatase in human JEG3 cells by scintillation spectrometry


J Med Chem 53: 2155-70 (2010)

More data for this
Ligand-Target Pair
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